FT-0615443 CAS:19241-36-2 chemical structure

5-CHLORO-2-METHYLPHENYL ISOTHIOCYANATE

Name: 5-CHLORO-2-METHYLPHENYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0615443

CAS No: 19241-36-2

Molecular Formula: 183.66
Formula Weight: C8H6ClNS
Inchl Key: VDBDGAPNWNWUSA-UHFFFAOYSA-N
Inchl: InChI=1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
CAS:	19241-36-2
MF:	C8H6ClNS
Flash_Point:	>230 °F
Product_Name:	4-chloro-2-isothiocyanato-1-methylbenzene
Density:	1.248 g/mL at 25 °C(lit.)
FW:	183.65800
Bolling_Point:	268-272 °C(lit.)

Refractive_Index:	n20/D 1.646(lit.)
Vapor_Pressure:	0.0031mmHg at 25°C
Flash_Point:	>230 °F
LogP:	3.38270
Bolling_Point:	268-272 °C(lit.)
PSA:	44.45000
Molecular_Structure:	['1 . Molar refractive index 5165 ', '2 . Molar volume （m3/mol）1545 ', '3 . Parachor （902K）3783 ', '4 . Surface tension 359 ', '5 . Polarizability 2047']
Computational_Chemistry:	['1 . XlogP 43 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 124 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 177 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
MF:	C8H6ClNS
Exact_Mass:	182.99100
FW:	183.65800
Density:	1.248 g/mL at 25 °C(lit.)
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）1248 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）268-272°C(lit) ', '6 . Boiling point（ºC, 52kPa）不确定 ', '7 . Refractive indexn 20/D 1646(lit) ', '8 . Flash point（ºF）>230 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']

Hazard_Class:	8
Risk_Statements(EU):	R20/21/22;R36/37/38
WGK_Germany:	3
RTECS:	NX8476000
RIDADR:	2810
Hazard_Codes:	C: Corrosive;
Safety_Statements:	S26-S27-S36/37/39-S45
Packing_Group:	III